7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol

C15H13NO3 — CID 135442585

IUPAC7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESCCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C15H13NO3/c1-2-9-7-12(18)8-13-14(9)19-15(16-13)10-3-5-11(17)6-4-10/h3-8,17-18H,2H2,1H3
InChIKeyPRIKKCCDYUBJIV-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.47
Rot. Bonds2

About 7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol

7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 135442585) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID135442585
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESCCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C15H13NO3/c1-2-9-7-12(18)8-13-14(9)19-15(16-13)10-3-5-11(17)6-4-10/h3-8,17-18H,2H2,1H3
InChIKeyPRIKKCCDYUBJIV-UHFFFAOYSA-N
XLogP3.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 135442585) is 7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is CCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is PRIKKCCDYUBJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-2-9-7-12(18)8-13-14(9)19-15(16-13)10-3-5-11(17)6-4-10/h3-8,17-18H,2H2,1H3.
What are the key properties of 7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 255.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135442585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).